==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-DEC-11 3V7Y . COMPND 2 MOLECULE: PROBABLE INORGANIC POLYPHOSPHATE/ATP-NAD KINASE 1 . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR M.GELIN,G.PONCET-MONTANGE,L.ASSAIRI,L.MORELLATO,V.HUTEAU,L.D . 258 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 27.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 34 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 1 6 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 42 0, 0.0 29,-1.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 134.1 10.5 36.6 24.1 2 2 A K E +a 30 0A 48 27,-0.2 35,-2.7 33,-0.2 36,-1.1 -0.486 360.0 161.7 -68.1 138.5 7.8 34.4 22.7 3 3 A Y E -ab 31 38A 5 27,-2.3 29,-2.9 33,-0.3 2,-0.3 -0.978 23.6-162.6-152.4 160.6 8.7 30.7 22.9 4 4 A M E - b 0 39A 8 34,-2.1 36,-2.7 -2,-0.3 2,-0.4 -0.966 9.7-146.0-143.7 163.8 7.3 27.2 22.8 5 5 A I E - b 0 40A 2 -2,-0.3 2,-0.3 34,-0.2 36,-0.2 -0.994 7.5-161.1-132.1 125.0 8.4 23.7 23.8 6 6 A T E - b 0 41A 25 34,-2.7 36,-2.4 -2,-0.4 2,-0.3 -0.816 13.2-153.7 -99.8 149.5 7.5 20.5 22.1 7 7 A S E - b 0 42A 25 -2,-0.3 36,-0.2 34,-0.2 7,-0.1 -0.918 27.5-129.0-123.2 148.5 7.9 17.2 23.8 8 8 A K - 0 0 129 34,-1.9 35,-0.1 -2,-0.3 -1,-0.1 0.778 54.0-122.0 -58.8 -27.7 8.5 13.6 22.7 9 9 A G S S+ 0 0 51 1,-0.4 2,-0.1 33,-0.2 -1,-0.1 0.439 71.5 121.8 99.1 -0.1 5.5 12.9 24.9 10 10 A D S > S- 0 0 59 1,-0.1 4,-2.1 4,-0.0 -1,-0.4 -0.428 78.4 -99.5 -82.8 169.2 7.0 10.4 27.3 11 11 A E H > S+ 0 0 167 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.937 119.8 51.6 -55.0 -54.8 7.0 11.1 31.0 12 12 A K H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.888 113.3 45.1 -51.1 -45.6 10.6 12.3 31.2 13 13 A S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.873 112.0 49.4 -71.8 -39.8 10.1 14.8 28.4 14 14 A D H X S+ 0 0 62 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.906 112.5 47.6 -67.4 -41.3 6.8 16.2 29.6 15 15 A L H X S+ 0 0 99 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.886 112.0 50.2 -66.7 -38.4 8.0 16.8 33.2 16 16 A L H X S+ 0 0 24 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.928 111.5 49.6 -64.3 -42.6 11.2 18.5 31.8 17 17 A R H X S+ 0 0 62 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.913 110.1 49.0 -61.9 -46.8 8.9 20.7 29.6 18 18 A L H X S+ 0 0 100 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.905 111.3 51.1 -59.4 -41.5 6.7 21.7 32.6 19 19 A N H X S+ 0 0 114 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.861 110.2 48.0 -64.6 -37.2 9.7 22.5 34.7 20 20 A M H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.885 111.6 50.1 -72.3 -39.6 11.2 24.7 32.0 21 21 A I H X S+ 0 0 45 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.916 111.1 49.6 -60.7 -44.7 7.9 26.5 31.5 22 22 A A H < S+ 0 0 58 -4,-2.5 3,-0.5 1,-0.2 4,-0.3 0.959 113.4 46.3 -60.2 -47.9 7.7 27.0 35.2 23 23 A G H >< S+ 0 0 20 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.856 108.3 54.9 -61.5 -38.3 11.3 28.4 35.2 24 24 A F H >< S+ 0 0 1 -4,-2.7 3,-2.0 1,-0.3 5,-0.3 0.784 94.7 71.4 -63.4 -27.1 10.6 30.6 32.2 25 25 A G T 3< S+ 0 0 56 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.642 88.0 63.1 -63.0 -14.0 7.7 32.0 34.3 26 26 A E T < S+ 0 0 154 -3,-1.5 -1,-0.3 -4,-0.3 2,-0.2 0.363 106.3 49.8 -91.8 4.6 10.3 33.7 36.5 27 27 A Y S < S- 0 0 97 -3,-2.0 2,-1.8 2,-0.1 61,-0.0 -0.773 103.9 -81.3-132.7 175.0 11.5 35.8 33.5 28 28 A D S S+ 0 0 148 -2,-0.2 2,-0.4 63,-0.1 -3,-0.1 -0.612 80.6 127.7 -80.4 82.2 10.1 38.1 30.7 29 29 A M - 0 0 23 -2,-1.8 2,-0.5 -5,-0.3 -27,-0.2 -0.996 44.6-154.4-143.6 132.7 9.1 35.2 28.5 30 30 A E E -a 2 0A 103 -29,-1.2 -27,-2.3 -2,-0.4 2,-0.4 -0.937 16.3-133.8-113.6 122.7 5.7 34.5 26.8 31 31 A Y E +a 3 0A 73 -2,-0.5 2,-0.3 -29,-0.2 -27,-0.2 -0.615 39.8 156.8 -70.8 125.7 4.6 31.0 25.8 32 32 A D - 0 0 27 -29,-2.9 -2,-0.1 -2,-0.4 5,-0.0 -0.823 26.1-175.8-155.3 109.7 3.2 31.2 22.3 33 33 A D S S+ 0 0 84 -2,-0.3 -29,-0.1 1,-0.1 -2,-0.0 0.269 84.1 58.8 -93.6 12.8 3.1 28.2 20.0 34 34 A V S S+ 0 0 102 1,-0.0 -1,-0.1 21,-0.0 -30,-0.1 0.810 124.4 9.4-101.9 -50.9 1.8 30.3 17.1 35 35 A E S S+ 0 0 111 -32,-0.1 -33,-0.2 26,-0.0 -2,-0.1 -0.378 82.8 164.9-127.0 56.3 4.5 32.9 16.6 36 36 A P - 0 0 0 0, 0.0 -33,-0.3 0, 0.0 3,-0.1 -0.319 29.4-161.3 -66.7 155.6 7.4 31.8 18.9 37 37 A E S S+ 0 0 89 -35,-2.7 26,-2.0 1,-0.3 2,-0.4 0.518 85.3 43.9-104.0 -18.7 10.9 33.3 18.4 38 38 A I E -bc 3 63A 0 -36,-1.1 -34,-2.1 24,-0.2 2,-0.5 -0.996 67.8-167.9-130.1 127.7 12.4 30.3 20.2 39 39 A V E -bc 4 64A 0 24,-1.9 26,-2.1 -2,-0.4 2,-0.5 -0.951 5.2-166.6-119.1 113.1 11.4 26.7 19.7 40 40 A I E -bc 5 65A 0 -36,-2.7 -34,-2.7 -2,-0.5 2,-0.5 -0.864 2.7-162.4-101.4 127.4 12.7 24.1 22.2 41 41 A S E -bc 6 66A 0 24,-2.7 26,-3.5 -2,-0.5 2,-0.6 -0.938 2.1-166.5-110.3 126.0 12.4 20.5 21.3 42 42 A I E +bc 7 67A 0 -36,-2.4 -34,-1.9 -2,-0.5 2,-0.3 -0.945 58.3 38.7-116.9 114.9 12.7 17.9 24.1 43 43 A G E S- c 0 68A 1 24,-2.6 26,-1.4 -2,-0.6 27,-0.8 -0.856 98.1 -40.4 156.8-119.0 13.2 14.3 23.0 44 44 A G > - 0 0 17 -2,-0.3 4,-1.9 24,-0.2 5,-0.1 -0.529 69.6 -75.1-127.9-164.8 15.4 13.0 20.2 45 45 A D H > S+ 0 0 39 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.853 129.0 58.1 -67.9 -34.6 16.2 14.0 16.6 46 46 A G H > S+ 0 0 47 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 107.0 47.9 -57.4 -42.5 12.8 12.7 15.5 47 47 A T H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.918 112.3 49.0 -65.9 -41.8 11.2 15.2 17.9 48 48 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.900 106.4 56.7 -64.2 -41.8 13.4 17.9 16.6 49 49 A L H X S+ 0 0 15 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.914 107.8 48.0 -54.4 -44.9 12.6 17.1 13.0 50 50 A S H X S+ 0 0 56 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.875 108.7 54.0 -65.4 -37.5 8.8 17.5 13.8 51 51 A A H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.924 109.2 48.8 -61.4 -45.8 9.5 20.9 15.5 52 52 A F H < S+ 0 0 0 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.932 114.0 44.9 -59.0 -48.1 11.3 22.1 12.4 53 53 A H H >< S+ 0 0 35 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.756 106.6 60.3 -72.1 -24.9 8.5 21.0 10.1 54 54 A Q H 3< S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.887 120.1 27.1 -66.3 -36.2 5.8 22.4 12.4 55 55 A Y T >< S+ 0 0 15 -4,-1.4 3,-2.0 -3,-0.3 -1,-0.2 0.010 79.1 125.2-117.0 28.0 7.4 25.9 11.9 56 56 A E T < S+ 0 0 57 -3,-0.6 3,-0.4 1,-0.3 -1,-0.1 0.563 71.2 61.6 -70.6 -5.3 9.0 25.6 8.5 57 57 A E T 3 S+ 0 0 185 -3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.508 108.1 41.8 -95.3 -6.9 7.2 28.7 7.3 58 58 A R S X S+ 0 0 47 -3,-2.0 3,-1.3 1,-0.1 4,-0.5 -0.118 71.7 129.5-127.9 35.4 8.8 30.9 9.9 59 59 A L G > S+ 0 0 8 -3,-0.4 3,-0.8 1,-0.3 182,-0.3 0.837 71.2 56.1 -60.9 -35.4 12.4 29.7 9.8 60 60 A D G 3 S+ 0 0 137 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.649 111.8 43.9 -73.5 -14.0 13.8 33.1 9.4 61 61 A E G < S+ 0 0 112 -3,-1.3 2,-0.4 -25,-0.1 -1,-0.2 0.394 103.9 78.0-108.9 0.8 12.1 34.3 12.6 62 62 A I < - 0 0 3 -3,-0.8 2,-0.5 -4,-0.5 179,-0.4 -0.898 54.4-160.8-119.5 138.9 12.9 31.2 14.8 63 63 A A E -c 38 0A 3 -26,-2.0 -24,-1.9 -2,-0.4 179,-0.3 -0.987 23.5-148.2-112.3 125.3 16.0 30.0 16.7 64 64 A F E -cd 39 242A 0 177,-3.1 179,-2.3 -2,-0.5 2,-0.3 -0.628 16.8-178.3 -94.4 148.5 15.8 26.3 17.5 65 65 A I E -c 40 0A 2 -26,-2.1 -24,-2.7 -2,-0.2 2,-0.4 -0.983 10.8-154.9-142.0 134.6 17.3 24.4 20.5 66 66 A G E -c 41 0A 0 9,-0.6 12,-1.2 -2,-0.3 2,-0.5 -0.920 3.9-164.0-115.2 135.1 17.2 20.7 21.1 67 67 A I E -ce 42 78A 1 -26,-3.5 -24,-2.6 -2,-0.4 2,-0.7 -0.962 15.4-143.4-111.6 129.1 17.3 18.8 24.5 68 68 A H E +c 43 0A 21 10,-3.2 -24,-0.2 -2,-0.5 -26,-0.1 -0.821 25.3 170.1 -98.6 114.3 18.1 15.1 24.4 69 69 A T S S+ 0 0 17 -26,-1.4 -1,-0.2 -2,-0.7 -25,-0.1 0.752 79.3 34.6 -90.3 -26.8 16.3 13.1 27.0 70 70 A G S S- 0 0 48 -27,-0.8 3,-0.1 1,-0.4 -2,-0.1 0.219 124.1 -23.1 -90.6-138.0 17.3 9.8 25.4 71 71 A H S S- 0 0 152 1,-0.2 -1,-0.4 -2,-0.0 -2,-0.1 -0.229 87.4 -74.3 -68.8 162.7 20.7 9.4 23.7 72 72 A L - 0 0 43 184,-0.1 2,-0.3 -3,-0.1 5,-0.2 -0.309 53.2-158.4 -57.8 135.5 22.7 12.3 22.3 73 73 A G - 0 0 2 3,-1.6 -5,-0.1 -3,-0.1 -7,-0.1 -0.739 25.5-128.0-113.6 165.2 21.3 13.7 19.1 74 74 A F S S+ 0 0 21 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 0.738 115.2 24.6 -81.2 -25.8 22.8 15.8 16.3 75 75 A Y S S+ 0 0 4 1,-0.2 2,-1.4 -10,-0.1 -9,-0.6 0.763 122.1 55.2-103.2 -41.3 20.1 18.4 16.6 76 76 A A S S+ 0 0 0 1,-0.2 -3,-1.6 -11,-0.1 -1,-0.2 -0.667 70.4 152.6 -92.2 79.5 19.1 17.7 20.2 77 77 A D + 0 0 20 -2,-1.4 2,-0.3 -11,-0.3 -10,-0.2 0.169 36.3 85.2-106.0 17.9 22.5 18.3 21.6 78 78 A W B S-e 67 0A 15 -12,-1.2 -10,-3.2 -3,-0.0 -5,-0.1 -0.898 70.8-122.7-119.0 150.1 22.0 19.5 25.1 79 79 A R > - 0 0 124 -2,-0.3 3,-1.6 -12,-0.2 -10,-0.1 -0.596 18.1-121.6 -90.7 152.7 21.4 17.4 28.3 80 80 A P G > S+ 0 0 30 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.842 109.9 64.0 -59.0 -37.5 18.4 17.6 30.6 81 81 A A G 3 S+ 0 0 80 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.684 99.7 56.5 -61.8 -16.5 20.5 18.4 33.7 82 82 A E G <> S+ 0 0 37 -3,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.309 75.7 101.9 -96.7 7.5 21.4 21.6 31.8 83 83 A A H <> S+ 0 0 5 -3,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.907 80.0 50.4 -59.0 -45.8 17.8 22.7 31.4 84 84 A D H > S+ 0 0 108 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.913 111.2 48.6 -60.6 -43.8 18.0 25.3 34.3 85 85 A K H > S+ 0 0 51 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.850 111.1 52.1 -63.3 -35.0 21.2 26.8 32.8 86 86 A L H X S+ 0 0 14 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.871 105.1 55.0 -69.1 -40.9 19.4 26.9 29.4 87 87 A V H X S+ 0 0 5 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.964 111.6 44.1 -54.6 -54.7 16.4 28.7 30.9 88 88 A K H X S+ 0 0 117 -4,-2.0 4,-1.5 1,-0.2 3,-0.4 0.965 115.1 45.8 -55.8 -60.1 18.6 31.5 32.3 89 89 A L H < S+ 0 0 80 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.875 113.5 49.7 -56.0 -42.5 20.9 32.0 29.3 90 90 A L H < S+ 0 0 2 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.852 102.3 63.9 -63.3 -36.8 17.9 32.0 26.9 91 91 A A H < 0 0 28 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.934 360.0 360.0 -54.7 -51.7 16.1 34.6 29.1 92 92 A K < 0 0 201 -4,-1.5 -3,-0.1 -3,-0.1 -65,-0.0 0.579 360.0 360.0 -73.0 360.0 18.8 37.2 28.5 93 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 94 95 A Y 0 0 112 0, 0.0 151,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 153.0 23.2 34.3 22.5 95 96 A Q E -F 244 0A 127 149,-1.3 149,-3.2 148,-0.0 2,-0.4 -0.493 360.0-131.7 -84.9 158.4 24.8 33.7 19.0 96 97 A K E -F 243 0A 140 147,-0.2 2,-0.4 -2,-0.2 147,-0.2 -0.933 13.9-161.7-116.0 138.2 22.9 32.1 16.1 97 98 A V E -F 242 0A 47 145,-2.5 145,-3.2 -2,-0.4 2,-0.4 -0.970 9.4-152.9-120.7 128.0 24.2 29.3 13.9 98 99 A S E -F 241 0A 43 -2,-0.4 143,-0.2 143,-0.2 -2,-0.0 -0.853 7.6-168.0-110.8 135.5 22.7 28.5 10.5 99 100 A Y E -F 240 0A 24 141,-2.1 141,-1.9 -2,-0.4 73,-0.1 -0.890 27.8-109.2-115.2 148.0 22.6 25.3 8.6 100 101 A P E -F 239 0A 1 0, 0.0 55,-0.3 0, 0.0 2,-0.3 -0.363 30.6-152.9 -73.7 154.3 21.7 24.8 4.9 101 102 A L E - 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